%chk=000187550.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187550

0 1
O 2.097513 1.305443 -0.638274
O 3.540170 -0.103833 0.526684
O -1.918599 1.644024 -0.351105
O 0.515800 -2.907107 3.309015
N 0.010038 0.290935 0.853400
N -2.395999 -0.104717 1.032185
N -0.907412 -1.509688 2.178724
C -4.301229 1.124470 -0.056160
C 2.436874 0.783047 0.646538
C 1.314489 -0.103522 1.210902
C -2.775189 0.952833 0.170317
C -4.779783 -0.057947 -0.906809
C -4.502347 2.444560 -0.809544
C -5.028377 1.171290 1.291942
C 2.689940 2.007926 1.510077
C -1.059540 -0.471618 1.377665
C 1.524847 -1.161856 2.026259
C 1.985924 0.350527 -1.737698
C 4.802816 0.481971 0.082551
C 0.405211 -1.952822 2.575905
C 2.618798 1.040369 -2.931087
C 5.578471 -0.699210 -0.466908
H -4.656955 -1.022926 -0.402551
H -5.846869 0.041285 -1.146059
H -4.244790 -0.115129 -1.863662
H -3.911648 2.475472 -1.736176
H -5.552706 2.596410 -1.079385
H -4.183582 3.307556 -0.211182
H -4.589401 1.913928 1.970077
H -5.031545 0.206668 1.811739
H -6.081562 1.452743 1.154906
H 3.215151 1.733471 2.434395
H 3.292820 2.755117 0.975171
H 1.753800 2.509915 1.789682
H -0.141944 1.091141 0.202944
H -3.116627 -0.697192 1.476305
H 2.532801 -1.483771 2.296850
H 0.902859 0.182862 -1.871327
H 2.492596 -0.594292 -1.469471
H 5.278052 0.928311 0.972723
H 4.597944 1.256031 -0.677667
H 2.384284 0.517706 -3.865233
H 2.252773 2.073643 -3.022266
H 3.709757 1.097607 -2.837593
H 6.620799 -0.433848 -0.674385
H 5.578142 -1.534806 0.249496
H 5.130438 -1.083577 -1.391912


%chk=000187550-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187550

0 1
O 2.118522 1.072454 -0.820004
O 3.686612 -0.114922 0.605726
O -1.725444 1.570758 -0.590674
O 0.554287 -2.536197 3.790076
N 0.104333 0.318034 0.890713
N -2.266077 0.073101 1.104763
N -0.875372 -1.226466 2.455403
C -4.121263 1.205389 -0.156834
C 2.514007 0.742894 0.561169
C 1.401869 -0.056125 1.253453
C -2.615307 0.965906 0.097146
C -4.388532 0.873998 -1.654295
C -4.382821 2.720891 0.093086
C -5.051502 0.355443 0.744148
C 2.713787 2.111968 1.239132
C -0.961136 -0.304713 1.512290
C 1.583323 -1.018184 2.216816
C 1.973647 -0.092908 -1.735373
C 4.951536 0.497668 0.130902
C 0.429118 -1.658624 2.887856
C 1.259171 0.421188 -2.984231
C 5.945440 -0.647283 -0.057426
H -4.230478 -0.200166 -1.863253
H -5.434371 1.123691 -1.909211
H -3.715501 1.458149 -2.303894
H -3.712126 3.335358 -0.530686
H -5.429656 2.964147 -0.164081
H -4.217832 2.989645 1.152882
H -4.919428 0.583368 1.819348
H -4.915149 -0.731019 0.581605
H -6.102395 0.586575 0.496666
H 3.080510 1.973008 2.269750
H 3.432639 2.719490 0.665428
H 1.758058 2.660569 1.272357
H -0.095052 0.996544 0.129145
H -2.991879 -0.418609 1.632595
H 2.590618 -1.326845 2.498373
H 1.394035 -0.895155 -1.235718
H 2.977883 -0.494786 -1.968139
H 5.318912 1.220120 0.886853
H 4.765701 1.040133 -0.817441
H 1.140844 -0.396144 -3.719229
H 0.259555 0.813689 -2.728003
H 1.838166 1.233305 -3.457368
H 6.924431 -0.253083 -0.386108
H 6.089695 -1.194771 0.889831
H 5.581624 -1.362084 -0.815546


